Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Jul-2023 | B10Br10_(2-)_to_1-B10Br9_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -25991.6081947; Eh | |||
 | 13-Jul-2023 | B10I10_(2-)_to_2-B10I9_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -3227.27168721; Eh | |||
 | 13-Jul-2023 | 1-B10Cl9_to_2-B10Cl9_ | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -4391.39150089; Eh | |||
 | 13-Jul-2023 | 1-B10Br9(CO)_to_2-B10Br9(CO) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -23530.7725527; Eh | |||
 | 13-Jul-2023 | 1-B10I9(N2)_to_2-B10I9(N2) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -3039.01635468; Eh | |||
 | 13-Jul-2023 | 1-B10Cl9N2_to_2-B10Cl9N2 | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -4501.01132680; Eh | |||
 | 13-Jul-2023 | 1-B10Br9_to_2-B10Br9_(Br) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -23417.3308180; Eh | |||
 | 13-Jul-2023 | 1-B10I9(CO)_to_2-B10I9(CO) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -3042.84164485; Eh | |||
 | 13-Jul-2023 | 1-B10Br9N2_to_2-B10Br9N2 | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -23526.9468607; Eh | |||
 | 13-Jul-2023 | B10Cl10_(2-)_to_1-B10Cl9_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -4851.66087756; Eh |
Results 1-10 of 21 (Search time: 0.001 seconds).